Alternatived Products of [ 1894538-97-6 ]
Product Details of [ 1894538-97-6 ]
CAS No. : | 1894538-97-6 |
MDL No. : | MFCD00149075 |
Formula : |
C6H2O7
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | OUXVUWQMYXFGDI-UHFFFAOYSA-N |
M.W : |
186.08
|
Pubchem ID : | 22492633 |
Synonyms : |
|
Calculated chemistry of [ 1894538-97-6 ]
Physicochemical Properties
Num. heavy atoms : |
13 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
7.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
33.09 |
TPSA : |
111.65 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-8.27 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-2.89 |
Log Po/w (XLOGP3) : |
-1.18 |
Log Po/w (WLOGP) : |
-2.65 |
Log Po/w (MLOGP) : |
-4.57 |
Log Po/w (SILICOS-IT) : |
0.58 |
Consensus Log Po/w : |
-2.14 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.25 |
Solubility : |
105.0 mg/ml ; 0.562 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-0.67 |
Solubility : |
39.7 mg/ml ; 0.213 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-0.87 |
Solubility : |
24.9 mg/ml ; 0.134 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
1.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.43 |
Safety of [ 1894538-97-6 ]
Signal Word: | Warning |
Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 |
UN#: | N/A |
Hazard Statements: | H302 |
Packing Group: | N/A |
GHS Pictogram: |
|